Commits · 820693112805ea5b2808c26d7ffbac15570838e2 · tsoc / openmm

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02 Jun, 2015 1 commit
- Cleaned up CUDA FFT code · 82069311
  Peter Eastman authored Jun 02, 2015
  
  82069311
30 May, 2015 1 commit
- Ported OpenCL FFT to CUDA · d3e91b15
  peastman authored May 29, 2015
  
  d3e91b15
22 Apr, 2015 1 commit
- Fixed bug in CustomIntegrator · 4cf66cab
  Peter Eastman authored Apr 22, 2015
  
  4cf66cab
06 Mar, 2015 1 commit
- Load balancing between GPUs forces the neighbor list to be rebuilt · 62f7c44c
  peastman authored Mar 06, 2015
  
  62f7c44c
17 Jan, 2015 1 commit
- Variable step size integrators were scaling the step size incorrectly · bd01a379
  peastman authored Jan 16, 2015
  
  bd01a379
14 Jan, 2015 1 commit
- Removed some unneeded code · 3b2579a5
  Peter Eastman authored Jan 14, 2015
  
  3b2579a5
06 Jan, 2015 2 commits
- CUDA support for PME with triclinic boxes · e7eb7852
  Peter Eastman authored Jan 06, 2015
  
  e7eb7852
- Continuing to implement CUDA support for triclinic boxes · 6eb302fb
  Peter Eastman authored Jan 05, 2015
  
  6eb302fb
05 Jan, 2015 1 commit
- Beginning of CUDA support for triclinic boxes · 61458a5f
  Peter Eastman authored Jan 05, 2015
  
  61458a5f
14 Nov, 2014 1 commit
- Minor optimization to sorting · 4c0621ed
  Peter Eastman authored Nov 14, 2014
  
  4c0621ed
10 Nov, 2014 1 commit
- Fixed a bug in neighbor list construction · d5666536
  peastman authored Nov 10, 2014
  
  d5666536
27 Oct, 2014 1 commit
- Reduced share memory for CustomGBForce · a0769389
  peastman authored Oct 27, 2014
  
  a0769389
13 Oct, 2014 1 commit
- GBSAOBCForce allows the surface area energy to be changed · 34a604b8
  peastman authored Oct 13, 2014
  
  34a604b8
09 Oct, 2014 1 commit
- Further optimizations to NonbondedForce · 3d1b2186
  peastman authored Oct 09, 2014
  
  3d1b2186
11 Sep, 2014 2 commits
- Reversed a change that didn't help · 3e47d824
  peastman authored Sep 11, 2014
  
  3e47d824
- Switched to a slightly faster (and more accurate) approximation for erfc() · 4b5b08af
  peastman authored Sep 11, 2014
  
  4b5b08af
09 Sep, 2014 1 commit
- Cleaned up obsolete code · 68984320
  peastman authored Sep 09, 2014
  
  68984320
08 Sep, 2014 1 commit
- Rewrote findBlocksWithInteractions() in a way that is both faster and simpler. · bfeb8ac7
  peastman authored Sep 08, 2014
  
  bfeb8ac7
30 Aug, 2014 1 commit
- Bug fixes to CUDA version of CustomManyParticleForce · b11c8061
  peastman authored Aug 29, 2014
  
  b11c8061
29 Aug, 2014 3 commits
- Bug fixes to CustomManyParticleForce · 3134fbb9
  peastman authored Aug 29, 2014
  
  3134fbb9
- Implemented UniqueCentralParticle mode in CUDA version of CustomManyParticleForce · c2d461f5
  peastman authored Aug 29, 2014
  
  c2d461f5
- Minor optimization to CUDA version of CustomManyParticleForce · a306aa58
  peastman authored Aug 29, 2014
  
  a306aa58
22 Aug, 2014 1 commit
- Optimizations to CUDA version of CustomManyParticleForce · 150d943a
  peastman authored Aug 22, 2014
  
  150d943a
21 Aug, 2014 1 commit
- CUDA version of CustomManyParticleForce uses neighbor list · bddaf4e7
  peastman authored Aug 21, 2014
  
  bddaf4e7
20 Aug, 2014 1 commit
- Wrote code to build neighbor list for CUDA version of CustomManyParticleForce · e3b631f6
  peastman authored Aug 20, 2014
  
  e3b631f6
19 Aug, 2014 3 commits
- Implemented exclusions for CUDA version of CustomManyParticleForce · 786e1ee7
  peastman authored Aug 19, 2014
  
  786e1ee7
- Implemented type filters for CUDA version of CustomManyParticleForce · 65b56ee1
  peastman authored Aug 19, 2014
  
  65b56ee1
- Continuing to work on CUDA implementation of CustomManyParticleForce · 785592f4
  peastman authored Aug 19, 2014
  
  785592f4
18 Aug, 2014 1 commit
- Beginning of CUDA implementation of CustomManyParticleForce · 890963b9
  peastman authored Aug 18, 2014
  
  890963b9
12 Aug, 2014 1 commit
- Avoid integer overflow when dealing with very large systems · edd91641
  peastman authored Aug 12, 2014
  
  edd91641
15 Jul, 2014 1 commit
- Fixed bug when running on a CPU device · c9c5997b
  peastman authored Jul 15, 2014
  
  c9c5997b
27 Jun, 2014 1 commit
- Fixed a rare memory corruption error when roundoff causes tile indices to be wrong · ece75910
  peastman authored Jun 27, 2014
  
  ece75910
24 Apr, 2014 1 commit
- Created CUDA and OpenCL implementations of LocalCoordinatesSite · c88213f8
  peastman authored Apr 24, 2014
  
  c88213f8
07 Jan, 2014 1 commit
- Very minor optimization · 06db7ac4
  peastman authored Jan 07, 2014
  
  06db7ac4
27 Aug, 2013 1 commit
- GBSAOBCForce adds an offset to the energy to reduce the discontinuity at the cutoff · b245e772
  peastman authored Aug 26, 2013
  
  b245e772
16 Aug, 2013 1 commit
- Fixed numeric problems using PME with Drude particles · 26c51a0c
  peastman authored Aug 16, 2013
  
  26c51a0c
15 Aug, 2013 1 commit
- Avoid nans when using PME with Drude particles · f4f5b568
  peastman authored Aug 15, 2013
  
  f4f5b568
13 Aug, 2013 1 commit
- Bug fixes to interaction groups · b2af59a8
  peastman authored Aug 13, 2013
  
  b2af59a8
07 Aug, 2013 2 commits
- Bug fixes and an optimization to CustomNonbondedForce with interaction groups · aba74fd8
  peastman authored Aug 07, 2013
  
  aba74fd8
- Created CUDA implementation of restricting CustomNonbondedForce to selected interaction groups · 09611266
  peastman authored Aug 07, 2013
  
  09611266